ethyl 5-[[(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2,4-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2,4-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2,4-dimethyl-pyrrole-3-carboxylate CAS Name: 5-[[(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2,4-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2,4-dimethylpyrrole-3-carboxylate Traditional Name: 5-[[(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C16H23N5O2S MolecularWeight: 349.45112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CNN2C(=NNC2=S)C(C)(C)C)N=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CNN2C(=NNC2=S)C(C)(C)C)N=C1C)C

InChI

InChI=1S/C16H23N5O2S/c1-7-23-13(22)12-9(2)11(18-10(12)3)8-17-21-14(16(4,5)6)19-20-15(21)24/h8,17H,7H2,1-6H3,(H,20,24)